Information card for entry 4134953

Structure parameters

• Formula: C56 H30 O20 Zr3
• Calculated formula: C56 H30 O20 Zr3
• Title of publication: Topology-Based Functionalization of Robust Chiral Zr-Based Metal-Organic Frameworks for Catalytic Enantioselective Hydrogenation.
• Authors of publication: Jiang, Hong; Zhang, Wenqiang; Kang, Xing; Cao, Ziping; Chen, Xu; Liu, Yan; Cui, Yong
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• Journal volume: 142
• Journal issue: 21
• Pages of publication: 9642 - 9652
• a: 16.031 ± 0.002 Å
• b: 36.971 ± 0.005 Å
• c: 44.102 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 26138 ± 6 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 4
• Space group number: 69
• Hermann-Mauguin space group symbol: F m m m
• Hall space group symbol: -F 2 2
• Residual factor for all reflections: 0.1093
• Residual factor for significantly intense reflections: 0.0764
• Weighted residual factors for significantly intense reflections: 0.1983
• Weighted residual factors for all reflections included in the refinement: 0.2325
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No